D026-0071 Screening compound: N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide

D026-0071 Screening compound: N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide
D026-0071 Screening compound: N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D026-0071
N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D026-0071

Molecular Formula

C19H20BrN5OS2 (C19 H20 BrN5 OS2)

Compound Name

N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide

IUPAC name

N-[5-(4-bromophenyl)-6H-134-thiadiazin-2-yl]-2-[(46-dimethylpyrimidin-2-yl)sulfanyl]butanamide

SMILES

CCC(C(NC(SC1)=NN=C1c(cc1)ccc1Br)=O)Sc1nc(C)cc(C)n1

InChI

InChI=1S/C19H20BrN5OS2/c1-4-16(28-18-21-11(2)9-12(3)22-18)17(26)23-19-25-24-15(10-27-19)13-5-7-14(20)8-6-13/h5-9,16H,4,10H2,1-3H3,(H,23,25,26)/t16-/m0/s1

InChI Key

AHSNHMBWAUBQQA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08558808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.106

Distribution Coefficient, logD

5.106

Water Solubility, LogSw

-4.93

Polar Surface Area

59.919

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D026-0071 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D026-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D026-0071?
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What is the minimum amount of D026-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D026-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D026-0071
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D026-0071 available by request